Be2AgI6
Alexandria ALEXAlex-ID: agm097968161 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1204_spg12
AgI I BeI2
2025-04-06 18:53:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097968161).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm097968161
data_agm097968161
_cell_length_a 5.70577
_cell_length_b 5.70577
_cell_length_c 13.99322
_cell_angle_alpha 84.25656
_cell_angle_beta 95.74344
_cell_angle_gamma 75.53042
_cell_volume 435.18128
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be1 Be 0.74580 0.59615 0.40989 1.00000
Be2 Be 0.59615 0.74580 0.59011 1.00000
Ag1 Ag 0.65491 0.65491 0.00000 1.00000
I1 I 0.85073 0.47400 0.27121 1.00000
I2 I 0.47400 0.85073 0.72879 1.00000
I3 I 0.15485 0.65499 0.99957 1.00000
I4 I 0.92830 0.41961 0.56930 1.00000
I5 I 0.65499 0.15485 0.00043 1.00000
I6 I 0.41961 0.92830 0.43070 1.00000
Get direct link